| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 10th, 2010 | 20 | Yes |
Popular Name: (1S,3S)-1-[[(4-fluorophenyl)methylamino]methyl]-N,N,3-trimethyl-cyclohexanamine (1S,3S)-1-[[(4-fluorophenyl)meth…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.67 | 10.14 | -122.9 | 3 | 2 | 2 | 21 | 280.431 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.67 | 9.05 | -36.34 | 2 | 2 | 1 | 16 | 279.423 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.67 | 8.61 | -46.88 | 2 | 2 | 1 | 20 | 279.423 | 5 | ↓ |
